SCHEMBL4092815

SCHEMBL4092815

CC(=O)Cc1ccncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
SYK P43405 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
NAMPT P43490 2/20 0.39
HPGDS O60760 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
FAAH O00519 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
CHRM4 P08173 1/20 0.34
KCNH3 Q9ULD8 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6616503 0.91 NAMPT (0.38) P2RX7SYKAURKBINCENPNAMPT
SCHEMBL27581725 0.83 P2RX7 (0.41) P2RX7SYKAURKBINCENPNAMPT
SCHEMBL344373 0.82 P2RX7 (0.44) P2RX7NAMPTHSP90AA1CYP1A2PTGDR2
SCHEMBL16402857 0.81 P2RX7 (0.41) P2RX7SYKAURKBINCENPNAMPT
SCHEMBL1484336 0.80 P2RX7 (0.47) P2RX7SYKAURKBINCENPNAMPT
SCHEMBL11643926 0.80 P2RX7 (0.43) P2RX7SYKAURKBINCENPNAMPT
SCHEMBL27358899 0.79 P2RX7 (0.40) P2RX7SYKAURKBINCENPNAMPT
SCHEMBL20317193 0.79 CYP1A2 (0.45) P2RX7SYKAURKBINCENPNAMPT
SCHEMBL11716600 0.79 P2RX7 (0.43) P2RX7SYKAURKBINCENPNAMPT
SCHEMBL29159095 0.79 GPR119 (0.40) P2RX7SYKAURKBINCENPNAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
EP-3004079-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-04-13 EP disclosed
WO-2015143340-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-09-24 WO disclosed
WO-2014195323-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2014-12-11 WO disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
CN-1243747-C Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2006-03-01 CN disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
CN-1425012-A Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2003-06-18 CN disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 P2RX7 42/4885SYK 1158/4885AURKB 2561/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH P2RX7 3887/4885SYK 1272/4885AURKB 1478/4885
US-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT P2RX7 171/4885SYK 2184/4885AURKB 1619/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 P2RX7 528/4885SYK 3987/4885AURKB 1122/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B P2RX7 3020/4885SYK 3412/4885AURKB 2094/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.